(Z)-1-[4-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-yl]piperidin-1-yl]-2,3-dithiophen-2-ylprop-2-en-1-one

Formula:C27H24N2O3S3 Mutagenic:none Tumorigenic:none Reproductive Effective:none (Z)-1-[4-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-yl]piperidin-1-yl]-2,3-dithiophen-2-ylprop-2-en-1-one is not a drug-like molecule.

MolName	(Z)-1-[4-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-yl]piperidin-1-yl]-2,3-dithiophen-2-ylprop-2-en-1-one
MolecularFormula	C27H24N2O3S3
Smiles	O=C(/C(/c1cccs1)=C/c1cccs1)N(CC1)CCC1c1nc(-c(cc2)cc3c2OCCO3)cs1
InChI	InChI=1S/C27H24N2O3S3/c30-27(21(25-4-2-14-34-25)16-20-3-1-13-33-20)29-9-7-18(8-10-29)26-28-22(17-35-26)19-5-6-23-24(15-19)32-12-11-31-23/h1-6,13-18H,7-12H2
InChIK	JMFLAJSTLOTCSB-UHFFFAOYSA-N
TotalMolweight	520.697
Molweight	520.697
MonoisotopicMass	520.094903
CLogP	6.2006
CLogS	-5.785
H Acceptors	5
TotalSurfaceArea	379.94
Relative PSA	0.28594
PolarSurfaceArea	136.38
Druglikeness	0.082412
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.54286
Fragments	1
Non HAtoms	35
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	5
Rings Closures	6
Small Rings	6
Aromatic Rings	4
Aromatic Atoms	21
Sp3Atoms	9
Symmetricatoms	2
Amides	1
Aromatic Nitrogens	1
StereoCon

Click to Load Molecule:

1 - (Z)-1-[4-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-yl]piperidin-1-yl]-2,3-dithiophen-2-ylprop-2-en-1-one | 2 - (Z)-1-[4-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-yl]piperidin-1-yl]-2,3-dithiophen-2-ylprop-2-en-1-one

Request More Details | (Z)-1-[4-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-yl]piperidin-1-yl]-2,3-dithiophen-2-ylprop-2-en-1-one

SKU	Product Name	Product Unit	Qty	Supplier Email

User Name
User Email
Additional Comments